DXJ
Summary
| Name: | (3E,5E)-6,10-dimethylundeca-3,5,9-trien-2-one |
| Synonyms: | Pseudoionone |
| Formula: | C13 H20 O |
| Formal charge: | 0 |
| Formula weight: | 192.297 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3E,5E)-6,10-dimethylundeca-3,5,9-trien-2-one |
| OpenEye OEToolkits | 2.0.6 | (3~{E},5~{E})-6,10-dimethylundeca-3,5,9-trien-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | [C@H](=CC(C)=O)\C=C(\CC\C=C(\C)C)C |
| InChI | InChI | 1.03 | InChI=1S/C13H20O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h6-7,9-10H,5,8H2,1-4H3/b10-6+,12-9+ |
| InChIKey | InChI | 1.03 | JXJIQCXXJGRKRJ-KOOBJXAQSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)=CCC\C(C)=C\C=C\C(C)=O |
| SMILES | CACTVS | 3.385 | CC(C)=CCCC(C)=CC=CC(C)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(=CCC/C(=C/C=C/C(=O)C)/C)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(=CCCC(=CC=CC(=O)C)C)C |
